3-methyl-N-(pentan-2-ylideneamino)butanamide

C10H20N2O — CID 4171993

IUPAC3-methyl-N-(pentan-2-ylideneamino)butanamide
SMILESCCCC(C)=NNC(=O)CC(C)C
InChIInChI=1S/C10H20N2O/c1-5-6-9(4)11-12-10(13)7-8(2)3/h8H,5-7H2,1-4H3,(H,12,13)
InChIKeyWXLUBNFGXBSHGC-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.32
Rot. Bonds5

About 3-methyl-N-(pentan-2-ylideneamino)butanamide

3-methyl-N-(pentan-2-ylideneamino)butanamide (PubChem CID 4171993) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-methyl-N-(pentan-2-ylideneamino)butanamide.

Molecular Properties

Compound Name3-methyl-N-(pentan-2-ylideneamino)butanamide
PubChem CID4171993
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name3-methyl-N-(pentan-2-ylideneamino)butanamide
SMILESCCCC(C)=NNC(=O)CC(C)C
InChIInChI=1S/C10H20N2O/c1-5-6-9(4)11-12-10(13)7-8(2)3/h8H,5-7H2,1-4H3,(H,12,13)
InChIKeyWXLUBNFGXBSHGC-UHFFFAOYSA-N
XLogP2.32
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylpentan-2-ylideneamino)pentanamide
CID 5150903
N,N'-bis[(Z)-4-methylpentan-2-ylideneamino]pentanediamide
CID 6175559
3-methyl-N-(pentan-3-ylideneamino)butanamide
CID 4113176
N-(pentan-2-ylideneamino)undecanamide
CID 3423517
N-(pentan-2-ylideneamino)-2-phenylacetamide
CID 4057395
2-cyano-N-[(Z)-4-methylpentan-2-ylideneamino]acetamide
CID 6250271
N-[2-(butanoylamino)ethyl]-3-methylbutanamide
CID 108570913
N-(hexan-2-ylideneamino)octanamide
CID 4148475
N-(hexan-2-ylideneamino)heptanamide
CID 4616391
N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-3-methylbutanamide
CID 135799294
N'-(hexan-2-ylideneamino)-N-propan-2-yloxamide
CID 2855495
4-hydroxy-N-[(E)-6-oxoheptan-2-ylideneamino]pentanamide
CID 146480225

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(pentan-2-ylideneamino)butanamide?
The IUPAC name of 3-methyl-N-(pentan-2-ylideneamino)butanamide (CID 4171993) is 3-methyl-N-(pentan-2-ylideneamino)butanamide.
What is the SMILES notation for 3-methyl-N-(pentan-2-ylideneamino)butanamide?
The canonical SMILES for 3-methyl-N-(pentan-2-ylideneamino)butanamide is CCCC(C)=NNC(=O)CC(C)C.
What is the InChIKey of 3-methyl-N-(pentan-2-ylideneamino)butanamide?
The InChIKey is WXLUBNFGXBSHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-5-6-9(4)11-12-10(13)7-8(2)3/h8H,5-7H2,1-4H3,(H,12,13).
What are the key properties of 3-methyl-N-(pentan-2-ylideneamino)butanamide?
3-methyl-N-(pentan-2-ylideneamino)butanamide has a molecular weight of 184.28 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(pentan-2-ylideneamino)butanamide is sourced from PubChem (CID 4171993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).